USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 120:sc= -0.543 USER MOD Set 1.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -169:sc= 0 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 169:sc= -0.0297 (180deg=-0.298) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 162:sc= -2.67! (180deg=-3.37!) USER MOD Single : A 38 SER OG : rot 180:sc= -5.11! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 52:sc= 0.203 USER MOD Single : A 46 MET CE :methyl 156:sc= 0 (180deg=-0.53) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.1!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00882 USER MOD Single : A 81 MET CE :methyl -153:sc= -8.25! (180deg=-13.6!) USER MOD Single : A 82 MET CE :methyl 154:sc= -0.0524 (180deg=-0.905) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 164:sc= -1.58 (180deg=-2.43!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.158 6.231 -11.638 1.00 0.00 N ATOM 2 CA ALA A 1 -24.585 7.298 -10.792 1.00 0.00 C ATOM 3 C ALA A 1 -23.051 7.386 -11.023 1.00 0.00 C ATOM 4 O ALA A 1 -22.483 8.482 -11.085 1.00 0.00 O ATOM 5 CB ALA A 1 -24.927 7.036 -9.313 1.00 0.00 C ATOM 0 H1 ALA A 1 -26.196 6.296 -11.624 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.817 6.342 -12.614 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.865 5.303 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.019 8.259 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.501 7.827 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.010 7.021 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.513 6.075 -9.008 1.00 0.00 H new ATOM 13 N SER A 2 -22.405 6.215 -11.178 1.00 0.00 N ATOM 14 CA SER A 2 -20.941 6.123 -11.420 1.00 0.00 C ATOM 15 C SER A 2 -20.675 5.779 -12.911 1.00 0.00 C ATOM 16 O SER A 2 -21.502 5.138 -13.569 1.00 0.00 O ATOM 17 CB SER A 2 -20.325 5.081 -10.457 1.00 0.00 C ATOM 18 OG SER A 2 -20.608 3.751 -10.878 1.00 0.00 O ATOM 0 H SER A 2 -22.873 5.309 -11.141 1.00 0.00 H new ATOM 0 HA SER A 2 -20.463 7.082 -11.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.246 5.225 -10.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.717 5.237 -9.452 1.00 0.00 H new ATOM 0 HG SER A 2 -20.204 3.116 -10.250 1.00 0.00 H new ATOM 24 N MET A 3 -19.497 6.190 -13.417 1.00 0.00 N ATOM 25 CA MET A 3 -19.116 6.005 -14.842 1.00 0.00 C ATOM 26 C MET A 3 -17.634 5.548 -14.923 1.00 0.00 C ATOM 27 O MET A 3 -17.349 4.352 -15.058 1.00 0.00 O ATOM 28 CB MET A 3 -19.372 7.320 -15.629 1.00 0.00 C ATOM 29 CG MET A 3 -20.844 7.610 -15.983 1.00 0.00 C ATOM 30 SD MET A 3 -21.063 9.334 -16.483 1.00 0.00 S ATOM 31 CE MET A 3 -19.899 9.467 -17.856 1.00 0.00 C ATOM 0 H MET A 3 -18.782 6.657 -12.859 1.00 0.00 H new ATOM 0 HA MET A 3 -19.728 5.229 -15.301 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.987 8.154 -15.042 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.795 7.287 -16.553 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.165 6.950 -16.789 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.478 7.394 -15.123 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.065 10.406 -18.384 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.879 9.441 -17.472 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.049 8.634 -18.542 1.00 0.00 H new ATOM 41 N THR A 4 -16.706 6.521 -14.868 1.00 0.00 N ATOM 42 CA THR A 4 -15.243 6.253 -14.880 1.00 0.00 C ATOM 43 C THR A 4 -14.513 7.207 -13.895 1.00 0.00 C ATOM 44 O THR A 4 -13.830 8.150 -14.315 1.00 0.00 O ATOM 45 CB THR A 4 -14.682 6.268 -16.335 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.162 7.425 -17.012 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.974 5.043 -17.225 1.00 0.00 C ATOM 0 H THR A 4 -16.940 7.512 -14.814 1.00 0.00 H new ATOM 0 HA THR A 4 -15.050 5.244 -14.515 1.00 0.00 H new ATOM 0 HB THR A 4 -13.602 6.258 -16.189 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.810 7.439 -17.926 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.524 5.191 -18.207 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.553 4.150 -16.764 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.052 4.921 -17.334 1.00 0.00 H new ATOM 55 N ASP A 5 -14.692 6.967 -12.583 1.00 0.00 N ATOM 56 CA ASP A 5 -14.159 7.845 -11.508 1.00 0.00 C ATOM 57 C ASP A 5 -12.691 7.445 -11.194 1.00 0.00 C ATOM 58 O ASP A 5 -11.912 8.270 -10.699 1.00 0.00 O ATOM 59 CB ASP A 5 -15.067 7.813 -10.243 1.00 0.00 C ATOM 60 CG ASP A 5 -16.293 8.741 -10.268 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.151 9.943 -9.952 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.400 8.270 -10.612 1.00 0.00 O ATOM 0 H ASP A 5 -15.209 6.161 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.163 8.878 -11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.414 6.790 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.458 8.072 -9.377 1.00 0.00 H new ATOM 67 N GLN A 6 -12.341 6.172 -11.449 1.00 0.00 N ATOM 68 CA GLN A 6 -10.970 5.634 -11.246 1.00 0.00 C ATOM 69 C GLN A 6 -10.143 5.884 -12.537 1.00 0.00 C ATOM 70 O GLN A 6 -9.803 4.938 -13.260 1.00 0.00 O ATOM 71 CB GLN A 6 -11.035 4.125 -10.871 1.00 0.00 C ATOM 72 CG GLN A 6 -11.792 3.209 -11.864 1.00 0.00 C ATOM 73 CD GLN A 6 -11.250 1.771 -11.946 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.899 0.819 -11.513 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.063 1.580 -12.502 1.00 0.00 N ATOM 0 H GLN A 6 -12.999 5.478 -11.804 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.478 6.143 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.016 3.752 -10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.507 4.034 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.843 3.172 -11.576 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.749 3.657 -12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.533 2.375 -12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.679 0.638 -12.574 1.00 0.00 H new ATOM 84 N GLN A 7 -9.823 7.162 -12.808 1.00 0.00 N ATOM 85 CA GLN A 7 -8.943 7.562 -13.937 1.00 0.00 C ATOM 86 C GLN A 7 -8.820 9.110 -13.943 1.00 0.00 C ATOM 87 O GLN A 7 -7.715 9.656 -14.059 1.00 0.00 O ATOM 88 CB GLN A 7 -9.505 7.071 -15.302 1.00 0.00 C ATOM 89 CG GLN A 7 -11.006 7.338 -15.556 1.00 0.00 C ATOM 90 CD GLN A 7 -11.245 8.269 -16.757 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.897 7.947 -17.893 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.832 9.436 -16.538 1.00 0.00 N ATOM 0 H GLN A 7 -10.163 7.950 -12.256 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.965 7.101 -13.801 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.933 7.545 -16.099 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.330 5.998 -15.379 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.516 6.390 -15.728 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.449 7.781 -14.664 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.117 9.694 -15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.999 10.076 -17.314 1.00 0.00 H new ATOM 101 N ALA A 8 -9.966 9.805 -13.816 1.00 0.00 N ATOM 102 CA ALA A 8 -10.017 11.291 -13.803 1.00 0.00 C ATOM 103 C ALA A 8 -9.800 11.819 -12.359 1.00 0.00 C ATOM 104 O ALA A 8 -9.195 12.879 -12.158 1.00 0.00 O ATOM 105 CB ALA A 8 -11.365 11.755 -14.389 1.00 0.00 C ATOM 0 H ALA A 8 -10.880 9.362 -13.720 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.217 11.700 -14.421 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.409 12.844 -14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.460 11.394 -15.413 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.181 11.355 -13.786 1.00 0.00 H new ATOM 111 N GLU A 9 -10.295 11.057 -11.366 1.00 0.00 N ATOM 112 CA GLU A 9 -10.258 11.456 -9.933 1.00 0.00 C ATOM 113 C GLU A 9 -8.785 11.456 -9.441 1.00 0.00 C ATOM 114 O GLU A 9 -8.390 12.305 -8.632 1.00 0.00 O ATOM 115 CB GLU A 9 -11.158 10.538 -9.055 1.00 0.00 C ATOM 116 CG GLU A 9 -10.474 9.303 -8.423 1.00 0.00 C ATOM 117 CD GLU A 9 -9.955 9.563 -7.007 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.735 9.418 -6.040 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.765 9.917 -6.854 1.00 0.00 O ATOM 0 H GLU A 9 -10.732 10.149 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.664 12.463 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.581 11.142 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.991 10.191 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.183 8.476 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.643 8.991 -9.056 1.00 0.00 H new ATOM 126 N ALA A 10 -7.993 10.477 -9.917 1.00 0.00 N ATOM 127 CA ALA A 10 -6.592 10.274 -9.462 1.00 0.00 C ATOM 128 C ALA A 10 -5.686 11.411 -10.007 1.00 0.00 C ATOM 129 O ALA A 10 -4.735 11.836 -9.341 1.00 0.00 O ATOM 130 CB ALA A 10 -6.110 8.883 -9.920 1.00 0.00 C ATOM 0 H ALA A 10 -8.297 9.806 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.540 10.312 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.083 8.727 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.751 8.115 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.155 8.822 -11.007 1.00 0.00 H new ATOM 136 N ARG A 11 -6.008 11.894 -11.222 1.00 0.00 N ATOM 137 CA ARG A 11 -5.200 12.920 -11.934 1.00 0.00 C ATOM 138 C ARG A 11 -5.403 14.279 -11.211 1.00 0.00 C ATOM 139 O ARG A 11 -4.481 15.101 -11.144 1.00 0.00 O ATOM 140 CB ARG A 11 -5.617 13.004 -13.430 1.00 0.00 C ATOM 141 CG ARG A 11 -4.525 13.543 -14.384 1.00 0.00 C ATOM 142 CD ARG A 11 -5.109 14.162 -15.668 1.00 0.00 C ATOM 143 NE ARG A 11 -6.318 13.435 -16.130 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.389 12.705 -17.262 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.332 12.052 -17.725 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.535 12.569 -17.916 1.00 0.00 N ATOM 0 H ARG A 11 -6.831 11.590 -11.742 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.144 12.651 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.913 12.010 -13.765 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.497 13.643 -13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.930 14.293 -13.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.849 12.731 -14.652 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.361 15.207 -15.486 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.354 14.148 -16.454 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.155 13.492 -15.550 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.445 12.096 -17.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.406 11.505 -18.583 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.380 13.020 -17.564 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.572 12.013 -18.771 1.00 0.00 H new ATOM 160 N ALA A 12 -6.629 14.507 -10.701 1.00 0.00 N ATOM 161 CA ALA A 12 -6.975 15.741 -9.947 1.00 0.00 C ATOM 162 C ALA A 12 -6.227 15.756 -8.586 1.00 0.00 C ATOM 163 O ALA A 12 -5.895 16.825 -8.059 1.00 0.00 O ATOM 164 CB ALA A 12 -8.504 15.817 -9.762 1.00 0.00 C ATOM 0 H ALA A 12 -7.405 13.852 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.658 16.622 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.759 16.721 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.988 15.840 -10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.847 14.944 -9.207 1.00 0.00 H new ATOM 170 N PHE A 13 -5.953 14.556 -8.041 1.00 0.00 N ATOM 171 CA PHE A 13 -5.225 14.397 -6.753 1.00 0.00 C ATOM 172 C PHE A 13 -3.766 14.906 -6.916 1.00 0.00 C ATOM 173 O PHE A 13 -3.332 15.818 -6.202 1.00 0.00 O ATOM 174 CB PHE A 13 -5.309 12.910 -6.303 1.00 0.00 C ATOM 175 CG PHE A 13 -4.996 12.657 -4.815 1.00 0.00 C ATOM 176 CD1 PHE A 13 -5.022 13.714 -3.897 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.680 11.369 -4.366 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.729 13.487 -2.554 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.387 11.145 -3.023 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.409 12.204 -2.119 1.00 0.00 C ATOM 0 H PHE A 13 -6.224 13.672 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.682 14.998 -5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.312 12.539 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.617 12.324 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.270 14.710 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.663 10.545 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.750 14.306 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.143 10.150 -2.683 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.177 12.030 -1.079 1.00 0.00 H new ATOM 190 N LEU A 14 -3.028 14.297 -7.862 1.00 0.00 N ATOM 191 CA LEU A 14 -1.608 14.643 -8.139 1.00 0.00 C ATOM 192 C LEU A 14 -1.545 15.320 -9.536 1.00 0.00 C ATOM 193 O LEU A 14 -1.879 14.700 -10.552 1.00 0.00 O ATOM 194 CB LEU A 14 -0.702 13.377 -8.065 1.00 0.00 C ATOM 195 CG LEU A 14 -1.408 11.990 -8.082 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.859 11.610 -9.507 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.523 10.869 -7.497 1.00 0.00 C ATOM 0 H LEU A 14 -3.391 13.553 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.231 15.334 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.006 13.411 -8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.107 13.441 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.286 12.088 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.349 10.636 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.557 12.359 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.990 11.565 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.063 9.923 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.393 10.786 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.273 11.105 -6.463 1.00 0.00 H new ATOM 209 N SER A 15 -1.114 16.595 -9.563 1.00 0.00 N ATOM 210 CA SER A 15 -1.098 17.424 -10.798 1.00 0.00 C ATOM 211 C SER A 15 -0.094 16.828 -11.822 1.00 0.00 C ATOM 212 O SER A 15 0.368 15.691 -11.667 1.00 0.00 O ATOM 213 CB SER A 15 -0.764 18.887 -10.430 1.00 0.00 C ATOM 214 OG SER A 15 0.642 19.089 -10.320 1.00 0.00 O ATOM 0 H SER A 15 -0.767 17.084 -8.738 1.00 0.00 H new ATOM 0 HA SER A 15 -2.081 17.417 -11.270 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.171 19.556 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.245 19.145 -9.486 1.00 0.00 H new ATOM 0 HG SER A 15 0.927 19.766 -10.969 1.00 0.00 H new ATOM 220 N GLU A 16 0.206 17.601 -12.881 1.00 0.00 N ATOM 221 CA GLU A 16 1.118 17.169 -13.975 1.00 0.00 C ATOM 222 C GLU A 16 2.574 17.152 -13.432 1.00 0.00 C ATOM 223 O GLU A 16 3.373 16.288 -13.815 1.00 0.00 O ATOM 224 CB GLU A 16 0.929 18.076 -15.224 1.00 0.00 C ATOM 225 CG GLU A 16 1.932 17.870 -16.384 1.00 0.00 C ATOM 226 CD GLU A 16 2.875 19.055 -16.616 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.519 19.969 -17.392 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.978 19.076 -16.026 1.00 0.00 O ATOM 0 H GLU A 16 -0.171 18.540 -13.010 1.00 0.00 H new ATOM 0 HA GLU A 16 0.880 16.158 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.078 17.918 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.988 19.116 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.528 16.980 -16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.375 17.678 -17.301 1.00 0.00 H new ATOM 235 N GLU A 17 2.895 18.130 -12.557 1.00 0.00 N ATOM 236 CA GLU A 17 4.280 18.309 -12.037 1.00 0.00 C ATOM 237 C GLU A 17 4.656 17.040 -11.222 1.00 0.00 C ATOM 238 O GLU A 17 5.797 16.567 -11.283 1.00 0.00 O ATOM 239 CB GLU A 17 4.416 19.628 -11.222 1.00 0.00 C ATOM 240 CG GLU A 17 3.804 19.626 -9.801 1.00 0.00 C ATOM 241 CD GLU A 17 4.527 20.538 -8.804 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.758 20.717 -8.931 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.867 21.077 -7.888 1.00 0.00 O ATOM 0 H GLU A 17 2.223 18.806 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 17 4.987 18.414 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.476 19.869 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.951 20.432 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.760 19.934 -9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.812 18.606 -9.416 1.00 0.00 H new ATOM 250 N MET A 18 3.683 16.510 -10.459 1.00 0.00 N ATOM 251 CA MET A 18 3.881 15.312 -9.600 1.00 0.00 C ATOM 252 C MET A 18 3.884 14.057 -10.515 1.00 0.00 C ATOM 253 O MET A 18 4.566 13.067 -10.221 1.00 0.00 O ATOM 254 CB MET A 18 2.799 15.227 -8.487 1.00 0.00 C ATOM 255 CG MET A 18 2.900 16.285 -7.371 1.00 0.00 C ATOM 256 SD MET A 18 1.249 16.726 -6.784 1.00 0.00 S ATOM 257 CE MET A 18 1.458 18.483 -6.431 1.00 0.00 C ATOM 0 H MET A 18 2.739 16.893 -10.415 1.00 0.00 H new ATOM 0 HA MET A 18 4.836 15.378 -9.079 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.818 15.311 -8.954 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.851 14.239 -8.030 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.497 15.898 -6.545 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.411 17.172 -7.745 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.519 18.894 -6.060 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.234 18.613 -5.677 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.747 19.005 -7.343 1.00 0.00 H new ATOM 267 N ILE A 19 3.091 14.104 -11.602 1.00 0.00 N ATOM 268 CA ILE A 19 2.932 12.965 -12.547 1.00 0.00 C ATOM 269 C ILE A 19 4.347 12.660 -13.108 1.00 0.00 C ATOM 270 O ILE A 19 4.677 11.498 -13.377 1.00 0.00 O ATOM 271 CB ILE A 19 1.834 13.253 -13.639 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.408 12.797 -13.194 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.185 12.628 -15.017 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.748 13.734 -13.582 1.00 0.00 C ATOM 0 H ILE A 19 2.542 14.925 -11.856 1.00 0.00 H new ATOM 0 HA ILE A 19 2.551 12.073 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 19 1.822 14.337 -13.752 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.212 11.814 -13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.407 12.679 -12.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.395 12.857 -15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.129 13.041 -15.374 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.278 11.547 -14.913 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.689 13.318 -13.223 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.589 14.714 -13.132 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.786 13.835 -14.667 1.00 0.00 H new ATOM 286 N ALA A 20 5.162 13.712 -13.310 1.00 0.00 N ATOM 287 CA ALA A 20 6.509 13.591 -13.930 1.00 0.00 C ATOM 288 C ALA A 20 7.348 12.518 -13.184 1.00 0.00 C ATOM 289 O ALA A 20 8.145 11.799 -13.800 1.00 0.00 O ATOM 290 CB ALA A 20 7.196 14.971 -13.913 1.00 0.00 C ATOM 0 H ALA A 20 4.914 14.667 -13.052 1.00 0.00 H new ATOM 0 HA ALA A 20 6.417 13.265 -14.966 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.184 14.891 -14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.595 15.684 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.295 15.315 -12.884 1.00 0.00 H new ATOM 296 N GLU A 21 7.178 12.446 -11.851 1.00 0.00 N ATOM 297 CA GLU A 21 7.946 11.516 -10.983 1.00 0.00 C ATOM 298 C GLU A 21 7.646 10.061 -11.438 1.00 0.00 C ATOM 299 O GLU A 21 8.554 9.229 -11.546 1.00 0.00 O ATOM 300 CB GLU A 21 7.617 11.780 -9.486 1.00 0.00 C ATOM 301 CG GLU A 21 8.421 12.903 -8.788 1.00 0.00 C ATOM 302 CD GLU A 21 8.458 14.223 -9.565 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.258 14.340 -10.520 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.688 15.148 -9.225 1.00 0.00 O ATOM 0 H GLU A 21 6.510 13.025 -11.342 1.00 0.00 H new ATOM 0 HA GLU A 21 9.019 11.680 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.557 12.021 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.775 10.854 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.990 13.085 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.443 12.559 -8.630 1.00 0.00 H new ATOM 311 N PHE A 22 6.354 9.768 -11.673 1.00 0.00 N ATOM 312 CA PHE A 22 5.880 8.423 -12.091 1.00 0.00 C ATOM 313 C PHE A 22 6.210 8.198 -13.593 1.00 0.00 C ATOM 314 O PHE A 22 6.181 7.048 -14.061 1.00 0.00 O ATOM 315 CB PHE A 22 4.355 8.271 -11.798 1.00 0.00 C ATOM 316 CG PHE A 22 3.947 8.490 -10.326 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.799 9.786 -9.818 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.746 7.395 -9.478 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.465 9.982 -8.479 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.403 7.593 -8.142 1.00 0.00 C ATOM 321 CZ PHE A 22 3.272 8.886 -7.642 1.00 0.00 C ATOM 0 H PHE A 22 5.604 10.453 -11.580 1.00 0.00 H new ATOM 0 HA PHE A 22 6.397 7.655 -11.515 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.809 8.980 -12.420 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.040 7.273 -12.102 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.944 10.638 -10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.857 6.391 -9.861 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.356 10.984 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.239 6.744 -7.495 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.020 9.039 -6.603 1.00 0.00 H new ATOM 331 N LYS A 23 6.489 9.279 -14.343 1.00 0.00 N ATOM 332 CA LYS A 23 6.805 9.216 -15.796 1.00 0.00 C ATOM 333 C LYS A 23 8.125 8.416 -15.965 1.00 0.00 C ATOM 334 O LYS A 23 8.193 7.467 -16.756 1.00 0.00 O ATOM 335 CB LYS A 23 6.932 10.639 -16.414 1.00 0.00 C ATOM 336 CG LYS A 23 6.047 10.960 -17.643 1.00 0.00 C ATOM 337 CD LYS A 23 6.781 10.916 -19.000 1.00 0.00 C ATOM 338 CE LYS A 23 5.828 11.086 -20.196 1.00 0.00 C ATOM 339 NZ LYS A 23 5.444 9.786 -20.771 1.00 0.00 N ATOM 0 H LYS A 23 6.504 10.226 -13.965 1.00 0.00 H new ATOM 0 HA LYS A 23 5.993 8.718 -16.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.705 11.367 -15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.973 10.792 -16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.219 10.252 -17.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.614 11.952 -17.512 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.535 11.703 -19.026 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.308 9.966 -19.093 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.934 11.622 -19.877 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.309 11.696 -20.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.802 9.938 -21.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.295 9.286 -21.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.963 9.215 -20.047 1.00 0.00 H new ATOM 353 N ALA A 24 9.175 8.833 -15.233 1.00 0.00 N ATOM 354 CA ALA A 24 10.532 8.235 -15.347 1.00 0.00 C ATOM 355 C ALA A 24 10.457 6.702 -15.115 1.00 0.00 C ATOM 356 O ALA A 24 10.663 5.909 -16.041 1.00 0.00 O ATOM 357 CB ALA A 24 11.472 8.925 -14.339 1.00 0.00 C ATOM 0 H ALA A 24 9.115 9.587 -14.549 1.00 0.00 H new ATOM 0 HA ALA A 24 10.931 8.392 -16.349 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.469 8.492 -14.416 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.521 9.991 -14.559 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.091 8.780 -13.328 1.00 0.00 H new ATOM 363 N ALA A 25 10.141 6.303 -13.868 1.00 0.00 N ATOM 364 CA ALA A 25 10.078 4.874 -13.464 1.00 0.00 C ATOM 365 C ALA A 25 9.069 4.101 -14.358 1.00 0.00 C ATOM 366 O ALA A 25 9.210 2.888 -14.555 1.00 0.00 O ATOM 367 CB ALA A 25 9.703 4.791 -11.971 1.00 0.00 C ATOM 0 H ALA A 25 9.923 6.953 -13.113 1.00 0.00 H new ATOM 0 HA ALA A 25 11.052 4.404 -13.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.654 3.746 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.457 5.308 -11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.732 5.261 -11.813 1.00 0.00 H new ATOM 373 N PHE A 26 8.040 4.816 -14.859 1.00 0.00 N ATOM 374 CA PHE A 26 6.956 4.202 -15.673 1.00 0.00 C ATOM 375 C PHE A 26 7.617 3.344 -16.788 1.00 0.00 C ATOM 376 O PHE A 26 7.287 2.165 -16.956 1.00 0.00 O ATOM 377 CB PHE A 26 5.995 5.278 -16.263 1.00 0.00 C ATOM 378 CG PHE A 26 4.920 4.725 -17.230 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.723 4.198 -16.731 1.00 0.00 C ATOM 380 CD2 PHE A 26 5.139 4.741 -18.612 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.763 3.691 -17.603 1.00 0.00 C ATOM 382 CE2 PHE A 26 4.173 4.240 -19.482 1.00 0.00 C ATOM 383 CZ PHE A 26 2.987 3.714 -18.977 1.00 0.00 C ATOM 0 H PHE A 26 7.932 5.820 -14.717 1.00 0.00 H new ATOM 0 HA PHE A 26 6.337 3.567 -15.040 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.495 5.790 -15.440 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.588 6.025 -16.790 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.543 4.185 -15.666 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.061 5.143 -19.006 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.844 3.280 -17.213 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.344 4.260 -20.548 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.240 3.323 -19.652 1.00 0.00 H new ATOM 393 N ASP A 27 8.529 3.967 -17.559 1.00 0.00 N ATOM 394 CA ASP A 27 9.176 3.321 -18.731 1.00 0.00 C ATOM 395 C ASP A 27 9.990 2.093 -18.236 1.00 0.00 C ATOM 396 O ASP A 27 10.045 1.062 -18.917 1.00 0.00 O ATOM 397 CB ASP A 27 10.044 4.331 -19.537 1.00 0.00 C ATOM 398 CG ASP A 27 11.515 4.457 -19.103 1.00 0.00 C ATOM 399 OD1 ASP A 27 12.326 3.570 -19.450 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.861 5.446 -18.421 1.00 0.00 O ATOM 0 H ASP A 27 8.840 4.924 -17.394 1.00 0.00 H new ATOM 0 HA ASP A 27 8.412 2.974 -19.427 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.020 4.042 -20.588 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.580 5.315 -19.466 1.00 0.00 H new ATOM 405 N MET A 28 10.600 2.219 -17.040 1.00 0.00 N ATOM 406 CA MET A 28 11.488 1.167 -16.474 1.00 0.00 C ATOM 407 C MET A 28 10.659 -0.142 -16.365 1.00 0.00 C ATOM 408 O MET A 28 11.157 -1.233 -16.663 1.00 0.00 O ATOM 409 CB MET A 28 12.095 1.590 -15.105 1.00 0.00 C ATOM 410 CG MET A 28 13.489 1.018 -14.782 1.00 0.00 C ATOM 411 SD MET A 28 14.251 1.963 -13.444 1.00 0.00 S ATOM 412 CE MET A 28 12.803 2.424 -12.469 1.00 0.00 C ATOM 0 H MET A 28 10.497 3.039 -16.441 1.00 0.00 H new ATOM 0 HA MET A 28 12.343 1.010 -17.132 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.154 2.678 -15.076 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.407 1.287 -14.315 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.403 -0.030 -14.495 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.121 1.055 -15.670 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.118 2.722 -11.469 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.290 3.256 -12.951 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.126 1.572 -12.397 1.00 0.00 H new ATOM 422 N PHE A 29 9.393 -0.009 -15.928 1.00 0.00 N ATOM 423 CA PHE A 29 8.480 -1.163 -15.713 1.00 0.00 C ATOM 424 C PHE A 29 8.016 -1.693 -17.097 1.00 0.00 C ATOM 425 O PHE A 29 7.797 -2.898 -17.271 1.00 0.00 O ATOM 426 CB PHE A 29 7.280 -0.752 -14.810 1.00 0.00 C ATOM 427 CG PHE A 29 6.664 -1.891 -13.972 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.632 -2.676 -14.500 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.119 -2.142 -12.672 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.075 -3.705 -13.743 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.562 -3.173 -11.919 1.00 0.00 C ATOM 432 CZ PHE A 29 5.545 -3.956 -12.457 1.00 0.00 C ATOM 0 H PHE A 29 8.969 0.894 -15.713 1.00 0.00 H new ATOM 0 HA PHE A 29 9.002 -1.964 -15.190 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.609 0.037 -14.134 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.501 -0.326 -15.442 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.266 -2.483 -15.498 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.906 -1.533 -12.251 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.279 -4.308 -14.154 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.919 -3.365 -10.918 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.119 -4.760 -11.875 1.00 0.00 H new ATOM 442 N ASP A 30 7.878 -0.777 -18.074 1.00 0.00 N ATOM 443 CA ASP A 30 7.369 -1.107 -19.432 1.00 0.00 C ATOM 444 C ASP A 30 8.510 -1.780 -20.242 1.00 0.00 C ATOM 445 O ASP A 30 9.690 -1.455 -20.061 1.00 0.00 O ATOM 446 CB ASP A 30 6.787 0.147 -20.147 1.00 0.00 C ATOM 447 CG ASP A 30 5.693 -0.116 -21.196 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.674 -1.216 -21.790 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.855 0.782 -21.433 1.00 0.00 O ATOM 0 H ASP A 30 8.113 0.208 -17.952 1.00 0.00 H new ATOM 0 HA ASP A 30 6.539 -1.809 -19.352 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.381 0.816 -19.389 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.607 0.676 -20.632 1.00 0.00 H new ATOM 454 N ALA A 31 8.138 -2.707 -21.144 1.00 0.00 N ATOM 455 CA ALA A 31 9.106 -3.442 -22.002 1.00 0.00 C ATOM 456 C ALA A 31 9.375 -2.640 -23.306 1.00 0.00 C ATOM 457 O ALA A 31 10.474 -2.701 -23.868 1.00 0.00 O ATOM 458 CB ALA A 31 8.552 -4.850 -22.296 1.00 0.00 C ATOM 0 H ALA A 31 7.166 -2.972 -21.304 1.00 0.00 H new ATOM 0 HA ALA A 31 10.060 -3.552 -21.486 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.257 -5.394 -22.925 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.411 -5.388 -21.359 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.596 -4.764 -22.813 1.00 0.00 H new ATOM 464 N ASP A 32 8.352 -1.894 -23.768 1.00 0.00 N ATOM 465 CA ASP A 32 8.472 -0.984 -24.938 1.00 0.00 C ATOM 466 C ASP A 32 9.091 0.358 -24.461 1.00 0.00 C ATOM 467 O ASP A 32 10.287 0.607 -24.653 1.00 0.00 O ATOM 468 CB ASP A 32 7.109 -0.789 -25.666 1.00 0.00 C ATOM 469 CG ASP A 32 6.534 -2.029 -26.370 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.850 -2.249 -27.560 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.761 -2.782 -25.737 1.00 0.00 O ATOM 0 H ASP A 32 7.423 -1.901 -23.348 1.00 0.00 H new ATOM 0 HA ASP A 32 9.133 -1.431 -25.681 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.378 -0.439 -24.937 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.226 0.002 -26.406 1.00 0.00 H new ATOM 476 N GLY A 33 8.267 1.202 -23.811 1.00 0.00 N ATOM 477 CA GLY A 33 8.734 2.474 -23.198 1.00 0.00 C ATOM 478 C GLY A 33 7.726 3.630 -23.431 1.00 0.00 C ATOM 479 O GLY A 33 7.998 4.571 -24.187 1.00 0.00 O ATOM 0 H GLY A 33 7.269 1.030 -23.693 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.880 2.329 -22.128 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.702 2.746 -23.618 1.00 0.00 H new ATOM 483 N GLY A 34 6.567 3.560 -22.746 1.00 0.00 N ATOM 484 CA GLY A 34 5.550 4.640 -22.776 1.00 0.00 C ATOM 485 C GLY A 34 4.367 4.242 -23.694 1.00 0.00 C ATOM 486 O GLY A 34 4.221 4.757 -24.809 1.00 0.00 O ATOM 0 H GLY A 34 6.308 2.765 -22.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.186 4.834 -21.767 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.002 5.564 -23.135 1.00 0.00 H new ATOM 490 N GLY A 35 3.503 3.336 -23.192 1.00 0.00 N ATOM 491 CA GLY A 35 2.262 2.931 -23.898 1.00 0.00 C ATOM 492 C GLY A 35 1.296 2.217 -22.918 1.00 0.00 C ATOM 493 O GLY A 35 0.132 2.613 -22.775 1.00 0.00 O ATOM 0 H GLY A 35 3.640 2.867 -22.297 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.775 3.808 -24.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.507 2.267 -24.727 1.00 0.00 H new ATOM 497 N ASP A 36 1.806 1.173 -22.235 1.00 0.00 N ATOM 498 CA ASP A 36 0.999 0.322 -21.322 1.00 0.00 C ATOM 499 C ASP A 36 1.870 -0.877 -20.860 1.00 0.00 C ATOM 500 O ASP A 36 2.949 -1.128 -21.411 1.00 0.00 O ATOM 501 CB ASP A 36 -0.336 -0.127 -21.984 1.00 0.00 C ATOM 502 CG ASP A 36 -0.217 -0.777 -23.373 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.783 -0.521 -24.079 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.128 -1.541 -23.763 1.00 0.00 O ATOM 0 H ASP A 36 2.785 0.892 -22.297 1.00 0.00 H new ATOM 0 HA ASP A 36 0.708 0.899 -20.445 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.830 -0.833 -21.316 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.988 0.743 -22.067 1.00 0.00 H new ATOM 509 N ILE A 37 1.392 -1.611 -19.837 1.00 0.00 N ATOM 510 CA ILE A 37 2.117 -2.742 -19.198 1.00 0.00 C ATOM 511 C ILE A 37 1.249 -4.027 -19.305 1.00 0.00 C ATOM 512 O ILE A 37 0.263 -4.181 -18.572 1.00 0.00 O ATOM 513 CB ILE A 37 2.586 -2.449 -17.724 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.738 -0.939 -17.357 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.865 -3.253 -17.375 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.766 -0.617 -16.260 1.00 0.00 C ATOM 0 H ILE A 37 0.477 -1.437 -19.420 1.00 0.00 H new ATOM 0 HA ILE A 37 3.049 -2.891 -19.744 1.00 0.00 H new ATOM 0 HB ILE A 37 1.764 -2.795 -17.097 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.013 -0.391 -18.258 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.766 -0.562 -17.039 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.166 -3.031 -16.351 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.662 -4.320 -17.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.668 -2.974 -18.058 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.788 0.459 -16.087 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.486 -1.127 -15.338 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.753 -0.954 -16.576 1.00 0.00 H new ATOM 528 N SER A 38 1.640 -4.954 -20.199 1.00 0.00 N ATOM 529 CA SER A 38 0.964 -6.271 -20.348 1.00 0.00 C ATOM 530 C SER A 38 1.327 -7.186 -19.147 1.00 0.00 C ATOM 531 O SER A 38 1.838 -6.714 -18.125 1.00 0.00 O ATOM 532 CB SER A 38 1.353 -6.898 -21.706 1.00 0.00 C ATOM 533 OG SER A 38 2.676 -7.425 -21.677 1.00 0.00 O ATOM 0 H SER A 38 2.425 -4.820 -20.836 1.00 0.00 H new ATOM 0 HA SER A 38 -0.119 -6.145 -20.342 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.649 -7.692 -21.956 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.277 -6.145 -22.491 1.00 0.00 H new ATOM 0 HG SER A 38 2.892 -7.816 -22.549 1.00 0.00 H new ATOM 539 N THR A 39 1.024 -8.491 -19.283 1.00 0.00 N ATOM 540 CA THR A 39 1.299 -9.510 -18.236 1.00 0.00 C ATOM 541 C THR A 39 2.783 -9.956 -18.349 1.00 0.00 C ATOM 542 O THR A 39 3.450 -10.194 -17.335 1.00 0.00 O ATOM 543 CB THR A 39 0.302 -10.710 -18.308 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.227 -10.845 -19.625 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.882 -10.640 -17.325 1.00 0.00 C ATOM 0 H THR A 39 0.582 -8.875 -20.118 1.00 0.00 H new ATOM 0 HA THR A 39 1.141 -9.068 -17.252 1.00 0.00 H new ATOM 0 HB THR A 39 0.903 -11.573 -18.021 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.848 -11.603 -19.652 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.515 -11.518 -17.454 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.505 -10.612 -16.303 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.465 -9.741 -17.522 1.00 0.00 H new ATOM 553 N LYS A 40 3.286 -10.065 -19.594 1.00 0.00 N ATOM 554 CA LYS A 40 4.687 -10.482 -19.867 1.00 0.00 C ATOM 555 C LYS A 40 5.643 -9.358 -19.384 1.00 0.00 C ATOM 556 O LYS A 40 6.689 -9.634 -18.783 1.00 0.00 O ATOM 557 CB LYS A 40 4.835 -10.825 -21.379 1.00 0.00 C ATOM 558 CG LYS A 40 6.120 -11.584 -21.797 1.00 0.00 C ATOM 559 CD LYS A 40 7.498 -10.961 -21.464 1.00 0.00 C ATOM 560 CE LYS A 40 8.326 -11.654 -20.361 1.00 0.00 C ATOM 561 NZ LYS A 40 9.614 -12.192 -20.834 1.00 0.00 N ATOM 0 H LYS A 40 2.744 -9.870 -20.436 1.00 0.00 H new ATOM 0 HA LYS A 40 4.954 -11.385 -19.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.974 -11.423 -21.678 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.790 -9.895 -21.945 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.084 -12.571 -21.336 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.078 -11.734 -22.876 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.093 -10.945 -22.377 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.340 -9.924 -21.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.513 -10.941 -19.558 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.738 -12.467 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.114 -12.642 -20.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.443 -12.896 -21.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.195 -11.418 -21.215 1.00 0.00 H new ATOM 575 N GLU A 41 5.280 -8.096 -19.680 1.00 0.00 N ATOM 576 CA GLU A 41 6.134 -6.914 -19.388 1.00 0.00 C ATOM 577 C GLU A 41 6.174 -6.682 -17.853 1.00 0.00 C ATOM 578 O GLU A 41 7.193 -6.242 -17.307 1.00 0.00 O ATOM 579 CB GLU A 41 5.648 -5.661 -20.172 1.00 0.00 C ATOM 580 CG GLU A 41 5.012 -5.886 -21.567 1.00 0.00 C ATOM 581 CD GLU A 41 4.748 -4.597 -22.352 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.368 -3.578 -21.733 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.922 -4.597 -23.591 1.00 0.00 O ATOM 0 H GLU A 41 4.393 -7.861 -20.126 1.00 0.00 H new ATOM 0 HA GLU A 41 7.152 -7.103 -19.729 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.920 -5.139 -19.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.499 -4.992 -20.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.669 -6.528 -22.154 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.071 -6.422 -21.443 1.00 0.00 H new ATOM 590 N LEU A 42 5.042 -6.956 -17.178 1.00 0.00 N ATOM 591 CA LEU A 42 4.878 -6.685 -15.726 1.00 0.00 C ATOM 592 C LEU A 42 5.938 -7.517 -14.955 1.00 0.00 C ATOM 593 O LEU A 42 6.605 -7.007 -14.047 1.00 0.00 O ATOM 594 CB LEU A 42 3.428 -7.018 -15.258 1.00 0.00 C ATOM 595 CG LEU A 42 2.653 -5.910 -14.486 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.303 -4.727 -15.410 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.374 -6.445 -13.810 1.00 0.00 C ATOM 0 H LEU A 42 4.217 -7.368 -17.614 1.00 0.00 H new ATOM 0 HA LEU A 42 5.033 -5.626 -15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.843 -7.287 -16.138 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.474 -7.902 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 42 3.322 -5.562 -13.699 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.762 -3.970 -14.842 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.220 -4.295 -15.811 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.679 -5.079 -16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.872 -5.632 -13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.706 -6.855 -14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.639 -7.227 -13.098 1.00 0.00 H new ATOM 609 N GLY A 43 6.061 -8.813 -15.308 1.00 0.00 N ATOM 610 CA GLY A 43 6.946 -9.763 -14.593 1.00 0.00 C ATOM 611 C GLY A 43 8.394 -9.736 -15.141 1.00 0.00 C ATOM 612 O GLY A 43 9.166 -10.678 -14.901 1.00 0.00 O ATOM 0 H GLY A 43 5.556 -9.230 -16.089 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.956 -9.519 -13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.543 -10.772 -14.684 1.00 0.00 H new ATOM 616 N THR A 44 8.758 -8.670 -15.877 1.00 0.00 N ATOM 617 CA THR A 44 10.141 -8.456 -16.383 1.00 0.00 C ATOM 618 C THR A 44 10.983 -7.757 -15.278 1.00 0.00 C ATOM 619 O THR A 44 12.127 -8.142 -15.014 1.00 0.00 O ATOM 620 CB THR A 44 10.156 -7.671 -17.733 1.00 0.00 C ATOM 621 OG1 THR A 44 9.465 -8.399 -18.746 1.00 0.00 O ATOM 622 CG2 THR A 44 11.555 -7.319 -18.271 1.00 0.00 C ATOM 0 H THR A 44 8.108 -7.929 -16.141 1.00 0.00 H new ATOM 0 HA THR A 44 10.593 -9.422 -16.606 1.00 0.00 H new ATOM 0 HB THR A 44 9.659 -6.730 -17.499 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.577 -8.654 -18.418 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.457 -6.776 -19.211 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.078 -6.697 -17.545 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.121 -8.235 -18.439 1.00 0.00 H new ATOM 630 N VAL A 45 10.399 -6.713 -14.661 1.00 0.00 N ATOM 631 CA VAL A 45 11.089 -5.850 -13.666 1.00 0.00 C ATOM 632 C VAL A 45 11.230 -6.663 -12.352 1.00 0.00 C ATOM 633 O VAL A 45 12.228 -6.522 -11.629 1.00 0.00 O ATOM 634 CB VAL A 45 10.358 -4.471 -13.485 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.281 -4.020 -12.007 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.972 -3.314 -14.312 1.00 0.00 C ATOM 0 H VAL A 45 9.432 -6.438 -14.835 1.00 0.00 H new ATOM 0 HA VAL A 45 12.086 -5.580 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 45 9.355 -4.670 -13.863 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.766 -3.062 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.734 -4.764 -11.428 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.289 -3.916 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.409 -2.398 -14.130 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.011 -3.166 -14.016 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.929 -3.562 -15.373 1.00 0.00 H new ATOM 646 N MET A 46 10.223 -7.502 -12.045 1.00 0.00 N ATOM 647 CA MET A 46 10.158 -8.263 -10.768 1.00 0.00 C ATOM 648 C MET A 46 11.242 -9.375 -10.814 1.00 0.00 C ATOM 649 O MET A 46 11.865 -9.691 -9.793 1.00 0.00 O ATOM 650 CB MET A 46 8.735 -8.838 -10.523 1.00 0.00 C ATOM 651 CG MET A 46 7.578 -7.824 -10.602 1.00 0.00 C ATOM 652 SD MET A 46 6.433 -8.080 -9.228 1.00 0.00 S ATOM 653 CE MET A 46 5.445 -9.459 -9.844 1.00 0.00 C ATOM 0 H MET A 46 9.433 -7.676 -12.666 1.00 0.00 H new ATOM 0 HA MET A 46 10.359 -7.601 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.552 -9.627 -11.253 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.717 -9.305 -9.538 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.972 -6.808 -10.573 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.051 -7.935 -11.550 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.010 -9.999 -9.003 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.648 -9.079 -10.483 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.080 -10.133 -10.419 1.00 0.00 H new ATOM 663 N ARG A 47 11.430 -9.978 -12.002 1.00 0.00 N ATOM 664 CA ARG A 47 12.345 -11.135 -12.197 1.00 0.00 C ATOM 665 C ARG A 47 13.811 -10.677 -11.963 1.00 0.00 C ATOM 666 O ARG A 47 14.657 -11.471 -11.536 1.00 0.00 O ATOM 667 CB ARG A 47 12.164 -11.736 -13.619 1.00 0.00 C ATOM 668 CG ARG A 47 10.938 -12.665 -13.780 1.00 0.00 C ATOM 669 CD ARG A 47 9.835 -12.400 -12.736 1.00 0.00 C ATOM 670 NE ARG A 47 8.676 -13.315 -12.902 1.00 0.00 N ATOM 671 CZ ARG A 47 7.722 -13.531 -11.971 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.702 -12.949 -10.773 1.00 0.00 N ATOM 673 NH2 ARG A 47 6.750 -14.375 -12.265 1.00 0.00 N ATOM 0 H ARG A 47 10.957 -9.684 -12.856 1.00 0.00 H new ATOM 0 HA ARG A 47 12.103 -11.916 -11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.079 -10.919 -14.335 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.063 -12.296 -13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.522 -12.537 -14.779 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.263 -13.702 -13.700 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.249 -12.518 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.496 -11.368 -12.821 1.00 0.00 H new ATOM 0 HE ARG A 47 8.595 -13.818 -13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.439 -12.294 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.950 -13.158 -10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.736 -14.841 -13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.013 -14.561 -11.585 1.00 0.00 H new ATOM 687 N MET A 48 14.099 -9.400 -12.282 1.00 0.00 N ATOM 688 CA MET A 48 15.460 -8.814 -12.155 1.00 0.00 C ATOM 689 C MET A 48 16.029 -9.167 -10.751 1.00 0.00 C ATOM 690 O MET A 48 17.255 -9.237 -10.581 1.00 0.00 O ATOM 691 CB MET A 48 15.452 -7.278 -12.406 1.00 0.00 C ATOM 692 CG MET A 48 15.917 -6.826 -13.803 1.00 0.00 C ATOM 693 SD MET A 48 16.840 -5.278 -13.679 1.00 0.00 S ATOM 694 CE MET A 48 15.503 -4.066 -13.711 1.00 0.00 C ATOM 0 H MET A 48 13.402 -8.743 -12.634 1.00 0.00 H new ATOM 0 HA MET A 48 16.107 -9.241 -12.921 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.440 -6.907 -12.243 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.090 -6.803 -11.660 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.543 -7.596 -14.254 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.055 -6.693 -14.457 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.921 -3.062 -13.642 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.945 -4.164 -14.642 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.834 -4.240 -12.868 1.00 0.00 H new ATOM 704 N LEU A 49 15.144 -9.351 -9.755 1.00 0.00 N ATOM 705 CA LEU A 49 15.529 -9.578 -8.334 1.00 0.00 C ATOM 706 C LEU A 49 16.680 -10.618 -8.282 1.00 0.00 C ATOM 707 O LEU A 49 17.698 -10.402 -7.610 1.00 0.00 O ATOM 708 CB LEU A 49 14.295 -10.042 -7.499 1.00 0.00 C ATOM 709 CG LEU A 49 14.143 -11.565 -7.218 1.00 0.00 C ATOM 710 CD1 LEU A 49 13.320 -11.851 -5.944 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.513 -12.296 -8.421 1.00 0.00 C ATOM 0 H LEU A 49 14.135 -9.348 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 49 15.881 -8.645 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.326 -9.525 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.396 -9.705 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 49 15.151 -11.947 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.244 -12.928 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.813 -11.399 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.321 -11.429 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.420 -13.358 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.526 -11.880 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.147 -12.167 -9.298 1.00 0.00 H new ATOM 723 N GLY A 50 16.522 -11.735 -9.019 1.00 0.00 N ATOM 724 CA GLY A 50 17.583 -12.764 -9.152 1.00 0.00 C ATOM 725 C GLY A 50 17.047 -13.994 -9.929 1.00 0.00 C ATOM 726 O GLY A 50 17.662 -14.438 -10.908 1.00 0.00 O ATOM 0 H GLY A 50 15.669 -11.952 -9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.443 -12.343 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.927 -13.071 -8.164 1.00 0.00 H new ATOM 730 N GLN A 51 15.884 -14.515 -9.492 1.00 0.00 N ATOM 731 CA GLN A 51 15.269 -15.740 -10.069 1.00 0.00 C ATOM 732 C GLN A 51 14.506 -15.337 -11.360 1.00 0.00 C ATOM 733 O GLN A 51 14.506 -14.164 -11.753 1.00 0.00 O ATOM 734 CB GLN A 51 14.349 -16.434 -9.025 1.00 0.00 C ATOM 735 CG GLN A 51 14.811 -17.826 -8.526 1.00 0.00 C ATOM 736 CD GLN A 51 14.410 -18.148 -7.075 1.00 0.00 C ATOM 737 OE1 GLN A 51 14.298 -17.259 -6.231 1.00 0.00 O ATOM 738 NE2 GLN A 51 14.181 -19.413 -6.756 1.00 0.00 N ATOM 0 H GLN A 51 15.341 -14.105 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 51 16.036 -16.469 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.252 -15.775 -8.162 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.355 -16.538 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.395 -18.590 -9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.896 -17.887 -8.612 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.276 -20.142 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.909 -19.658 -5.804 1.00 0.00 H new ATOM 747 N ASN A 52 13.871 -16.327 -12.014 1.00 0.00 N ATOM 748 CA ASN A 52 13.019 -16.093 -13.210 1.00 0.00 C ATOM 749 C ASN A 52 11.940 -17.227 -13.351 1.00 0.00 C ATOM 750 O ASN A 52 12.254 -18.258 -13.956 1.00 0.00 O ATOM 751 CB ASN A 52 13.935 -15.991 -14.462 1.00 0.00 C ATOM 752 CG ASN A 52 13.364 -15.141 -15.617 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.152 -15.061 -15.812 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.217 -14.501 -16.405 1.00 0.00 N ATOM 0 H ASN A 52 13.929 -17.307 -11.736 1.00 0.00 H new ATOM 0 HA ASN A 52 12.471 -15.156 -13.106 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.894 -15.570 -14.160 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.132 -16.997 -14.833 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.870 -13.937 -17.180 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.220 -14.573 -16.236 1.00 0.00 H new ATOM 761 N PRO A 53 10.668 -17.077 -12.864 1.00 0.00 N ATOM 762 CA PRO A 53 9.591 -18.079 -13.070 1.00 0.00 C ATOM 763 C PRO A 53 8.989 -18.006 -14.500 1.00 0.00 C ATOM 764 O PRO A 53 9.483 -17.265 -15.358 1.00 0.00 O ATOM 765 CB PRO A 53 8.598 -17.714 -11.947 1.00 0.00 C ATOM 766 CG PRO A 53 8.778 -16.216 -11.690 1.00 0.00 C ATOM 767 CD PRO A 53 10.221 -15.905 -12.079 1.00 0.00 C ATOM 0 HA PRO A 53 9.922 -19.116 -13.011 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.574 -17.938 -12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.801 -18.291 -11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.077 -15.629 -12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.592 -15.972 -10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.282 -14.989 -12.667 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.845 -15.760 -11.197 1.00 0.00 H new ATOM 775 N THR A 54 7.931 -18.804 -14.743 1.00 0.00 N ATOM 776 CA THR A 54 7.237 -18.856 -16.058 1.00 0.00 C ATOM 777 C THR A 54 6.206 -17.696 -16.129 1.00 0.00 C ATOM 778 O THR A 54 6.084 -16.891 -15.197 1.00 0.00 O ATOM 779 CB THR A 54 6.592 -20.252 -16.326 1.00 0.00 C ATOM 780 OG1 THR A 54 6.677 -20.588 -17.708 1.00 0.00 O ATOM 781 CG2 THR A 54 5.120 -20.389 -15.892 1.00 0.00 C ATOM 0 H THR A 54 7.531 -19.429 -14.043 1.00 0.00 H new ATOM 0 HA THR A 54 7.968 -18.721 -16.856 1.00 0.00 H new ATOM 0 HB THR A 54 7.171 -20.936 -15.706 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.269 -21.467 -17.857 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.765 -21.394 -16.121 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.039 -20.211 -14.820 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.513 -19.659 -16.428 1.00 0.00 H new ATOM 789 N LYS A 55 5.488 -17.609 -17.265 1.00 0.00 N ATOM 790 CA LYS A 55 4.537 -16.500 -17.549 1.00 0.00 C ATOM 791 C LYS A 55 3.157 -16.864 -16.936 1.00 0.00 C ATOM 792 O LYS A 55 2.398 -15.976 -16.527 1.00 0.00 O ATOM 793 CB LYS A 55 4.459 -16.240 -19.085 1.00 0.00 C ATOM 794 CG LYS A 55 5.797 -16.042 -19.837 1.00 0.00 C ATOM 795 CD LYS A 55 5.822 -16.580 -21.286 1.00 0.00 C ATOM 796 CE LYS A 55 6.698 -17.832 -21.494 1.00 0.00 C ATOM 797 NZ LYS A 55 7.218 -17.960 -22.869 1.00 0.00 N ATOM 0 H LYS A 55 5.545 -18.299 -18.014 1.00 0.00 H new ATOM 0 HA LYS A 55 4.879 -15.571 -17.093 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.935 -17.078 -19.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.846 -15.353 -19.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.030 -14.977 -19.857 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.590 -16.531 -19.271 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.802 -16.813 -21.590 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.179 -15.790 -21.946 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.536 -17.800 -20.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.114 -18.720 -21.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.798 -18.820 -22.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.423 -18.020 -23.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.800 -17.130 -23.099 1.00 0.00 H new ATOM 811 N GLU A 56 2.832 -18.170 -16.909 1.00 0.00 N ATOM 812 CA GLU A 56 1.508 -18.678 -16.460 1.00 0.00 C ATOM 813 C GLU A 56 1.143 -18.006 -15.108 1.00 0.00 C ATOM 814 O GLU A 56 0.069 -17.406 -14.966 1.00 0.00 O ATOM 815 CB GLU A 56 1.527 -20.234 -16.392 1.00 0.00 C ATOM 816 CG GLU A 56 0.249 -20.913 -15.845 1.00 0.00 C ATOM 817 CD GLU A 56 0.342 -22.439 -15.745 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.900 -23.073 -16.669 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.138 -23.011 -14.742 1.00 0.00 O ATOM 0 H GLU A 56 3.475 -18.908 -17.196 1.00 0.00 H new ATOM 0 HA GLU A 56 0.728 -18.415 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.716 -20.618 -17.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.369 -20.539 -15.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.031 -20.508 -14.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.591 -20.653 -16.489 1.00 0.00 H new ATOM 826 N GLU A 57 2.039 -18.143 -14.112 1.00 0.00 N ATOM 827 CA GLU A 57 1.790 -17.658 -12.727 1.00 0.00 C ATOM 828 C GLU A 57 1.462 -16.141 -12.771 1.00 0.00 C ATOM 829 O GLU A 57 0.609 -15.657 -12.017 1.00 0.00 O ATOM 830 CB GLU A 57 2.987 -17.983 -11.786 1.00 0.00 C ATOM 831 CG GLU A 57 3.098 -17.188 -10.461 1.00 0.00 C ATOM 832 CD GLU A 57 2.704 -17.986 -9.214 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.500 -18.028 -8.878 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.598 -18.573 -8.564 1.00 0.00 O ATOM 0 H GLU A 57 2.949 -18.587 -14.235 1.00 0.00 H new ATOM 0 HA GLU A 57 0.931 -18.182 -12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.940 -19.043 -11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.908 -17.828 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.124 -16.838 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.465 -16.303 -10.527 1.00 0.00 H new ATOM 841 N LEU A 58 2.155 -15.402 -13.657 1.00 0.00 N ATOM 842 CA LEU A 58 2.042 -13.922 -13.745 1.00 0.00 C ATOM 843 C LEU A 58 0.605 -13.548 -14.203 1.00 0.00 C ATOM 844 O LEU A 58 0.047 -12.536 -13.762 1.00 0.00 O ATOM 845 CB LEU A 58 3.161 -13.393 -14.688 1.00 0.00 C ATOM 846 CG LEU A 58 4.612 -13.414 -14.124 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.666 -12.955 -15.154 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.705 -12.557 -12.846 1.00 0.00 C ATOM 0 H LEU A 58 2.807 -15.804 -14.331 1.00 0.00 H new ATOM 0 HA LEU A 58 2.191 -13.445 -12.776 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.142 -13.983 -15.604 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.917 -12.367 -14.965 1.00 0.00 H new ATOM 0 HG LEU A 58 4.838 -14.453 -13.884 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.657 -12.991 -14.701 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.639 -13.615 -16.021 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.448 -11.934 -15.468 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.726 -12.582 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.429 -11.528 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.026 -12.954 -12.092 1.00 0.00 H new ATOM 860 N ASP A 59 0.019 -14.391 -15.074 1.00 0.00 N ATOM 861 CA ASP A 59 -1.316 -14.139 -15.678 1.00 0.00 C ATOM 862 C ASP A 59 -2.373 -14.070 -14.543 1.00 0.00 C ATOM 863 O ASP A 59 -3.374 -13.353 -14.655 1.00 0.00 O ATOM 864 CB ASP A 59 -1.666 -15.201 -16.760 1.00 0.00 C ATOM 865 CG ASP A 59 -3.048 -15.063 -17.421 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.056 -15.487 -16.812 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.129 -14.523 -18.546 1.00 0.00 O ATOM 0 H ASP A 59 0.450 -15.263 -15.382 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.307 -13.183 -16.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.906 -15.159 -17.541 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.600 -16.189 -16.305 1.00 0.00 H new ATOM 872 N ALA A 60 -2.134 -14.826 -13.455 1.00 0.00 N ATOM 873 CA ALA A 60 -3.001 -14.808 -12.247 1.00 0.00 C ATOM 874 C ALA A 60 -2.776 -13.492 -11.451 1.00 0.00 C ATOM 875 O ALA A 60 -3.725 -12.912 -10.913 1.00 0.00 O ATOM 876 CB ALA A 60 -2.704 -16.056 -11.393 1.00 0.00 C ATOM 0 H ALA A 60 -1.342 -15.464 -13.382 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.051 -14.836 -12.537 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.337 -16.049 -10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.908 -16.953 -11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.656 -16.050 -11.092 1.00 0.00 H new ATOM 882 N ILE A 61 -1.503 -13.061 -11.367 1.00 0.00 N ATOM 883 CA ILE A 61 -1.103 -11.838 -10.621 1.00 0.00 C ATOM 884 C ILE A 61 -2.028 -10.697 -11.129 1.00 0.00 C ATOM 885 O ILE A 61 -2.468 -9.848 -10.342 1.00 0.00 O ATOM 886 CB ILE A 61 0.439 -11.548 -10.750 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.236 -11.930 -9.462 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.737 -10.075 -11.141 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.028 -10.790 -8.801 1.00 0.00 C ATOM 0 H ILE A 61 -0.721 -13.544 -11.810 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.239 -11.952 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 61 0.782 -12.191 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.535 -12.332 -8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.931 -12.732 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.815 -9.929 -11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.273 -9.853 -12.102 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.333 -9.408 -10.380 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.542 -11.169 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.761 -10.399 -9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.344 -9.993 -8.510 1.00 0.00 H new ATOM 901 N ILE A 62 -2.310 -10.691 -12.445 1.00 0.00 N ATOM 902 CA ILE A 62 -3.086 -9.613 -13.117 1.00 0.00 C ATOM 903 C ILE A 62 -4.585 -9.934 -12.865 1.00 0.00 C ATOM 904 O ILE A 62 -5.406 -9.020 -12.712 1.00 0.00 O ATOM 905 CB ILE A 62 -2.686 -9.459 -14.632 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.262 -8.846 -14.820 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.727 -8.642 -15.444 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.051 -8.019 -16.100 1.00 0.00 C ATOM 0 H ILE A 62 -2.009 -11.431 -13.080 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.862 -8.629 -12.705 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.670 -10.475 -15.027 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.044 -8.212 -13.961 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.534 -9.657 -14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.401 -8.567 -16.481 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.695 -9.142 -15.403 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.817 -7.642 -15.019 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.028 -7.643 -16.126 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.229 -8.648 -16.973 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.746 -7.180 -16.110 1.00 0.00 H new ATOM 920 N GLU A 63 -4.930 -11.236 -12.853 1.00 0.00 N ATOM 921 CA GLU A 63 -6.325 -11.705 -12.628 1.00 0.00 C ATOM 922 C GLU A 63 -6.893 -10.971 -11.383 1.00 0.00 C ATOM 923 O GLU A 63 -8.069 -10.589 -11.357 1.00 0.00 O ATOM 924 CB GLU A 63 -6.368 -13.256 -12.507 1.00 0.00 C ATOM 925 CG GLU A 63 -7.766 -13.915 -12.581 1.00 0.00 C ATOM 926 CD GLU A 63 -8.680 -13.581 -11.399 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.164 -13.238 -10.312 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.920 -13.658 -11.552 1.00 0.00 O ATOM 0 H GLU A 63 -4.261 -11.992 -12.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.960 -11.461 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.750 -13.677 -13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.908 -13.537 -11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.255 -13.602 -13.504 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.643 -14.997 -12.637 1.00 0.00 H new ATOM 935 N GLU A 64 -6.041 -10.786 -10.357 1.00 0.00 N ATOM 936 CA GLU A 64 -6.453 -10.201 -9.054 1.00 0.00 C ATOM 937 C GLU A 64 -6.403 -8.654 -9.172 1.00 0.00 C ATOM 938 O GLU A 64 -7.321 -7.956 -8.725 1.00 0.00 O ATOM 939 CB GLU A 64 -5.570 -10.767 -7.904 1.00 0.00 C ATOM 940 CG GLU A 64 -6.315 -11.470 -6.744 1.00 0.00 C ATOM 941 CD GLU A 64 -5.780 -11.119 -5.352 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.441 -9.939 -5.113 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.701 -12.022 -4.489 1.00 0.00 O ATOM 0 H GLU A 64 -5.053 -11.034 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.477 -10.481 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.862 -11.476 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.986 -9.947 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.371 -11.206 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.249 -12.549 -6.885 1.00 0.00 H new ATOM 950 N VAL A 65 -5.305 -8.134 -9.753 1.00 0.00 N ATOM 951 CA VAL A 65 -5.044 -6.672 -9.848 1.00 0.00 C ATOM 952 C VAL A 65 -5.311 -6.247 -11.319 1.00 0.00 C ATOM 953 O VAL A 65 -4.454 -5.627 -11.964 1.00 0.00 O ATOM 954 CB VAL A 65 -3.611 -6.297 -9.329 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.458 -6.756 -10.257 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.444 -4.781 -9.071 1.00 0.00 C ATOM 0 H VAL A 65 -4.572 -8.707 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.715 -6.115 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.536 -6.845 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.503 -6.458 -9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.486 -7.841 -10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.574 -6.293 -11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.434 -4.582 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.616 -4.233 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.165 -4.458 -8.320 1.00 0.00 H new ATOM 966 N ASP A 66 -6.507 -6.584 -11.837 1.00 0.00 N ATOM 967 CA ASP A 66 -6.909 -6.246 -13.229 1.00 0.00 C ATOM 968 C ASP A 66 -8.312 -6.853 -13.502 1.00 0.00 C ATOM 969 O ASP A 66 -8.537 -7.519 -14.521 1.00 0.00 O ATOM 970 CB ASP A 66 -5.839 -6.707 -14.262 1.00 0.00 C ATOM 971 CG ASP A 66 -5.461 -5.683 -15.346 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.173 -5.594 -16.371 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.455 -4.961 -15.171 1.00 0.00 O ATOM 0 H ASP A 66 -7.220 -7.093 -11.315 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.973 -5.164 -13.343 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.935 -6.982 -13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.203 -7.609 -14.754 1.00 0.00 H new ATOM 978 N GLU A 67 -9.262 -6.585 -12.587 1.00 0.00 N ATOM 979 CA GLU A 67 -10.649 -7.113 -12.643 1.00 0.00 C ATOM 980 C GLU A 67 -11.536 -6.161 -13.490 1.00 0.00 C ATOM 981 O GLU A 67 -12.763 -6.115 -13.293 1.00 0.00 O ATOM 982 CB GLU A 67 -11.195 -7.325 -11.197 1.00 0.00 C ATOM 983 CG GLU A 67 -11.975 -6.143 -10.576 1.00 0.00 C ATOM 984 CD GLU A 67 -12.082 -6.195 -9.048 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.035 -6.136 -8.366 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.213 -6.294 -8.524 1.00 0.00 O ATOM 0 H GLU A 67 -9.092 -5.990 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.664 -8.087 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.847 -8.199 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.353 -7.559 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.489 -5.211 -10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.979 -6.123 -10.999 1.00 0.00 H new ATOM 993 N ASP A 68 -10.933 -5.406 -14.426 1.00 0.00 N ATOM 994 CA ASP A 68 -11.652 -4.419 -15.275 1.00 0.00 C ATOM 995 C ASP A 68 -12.079 -5.116 -16.595 1.00 0.00 C ATOM 996 O ASP A 68 -13.189 -4.905 -17.098 1.00 0.00 O ATOM 997 CB ASP A 68 -10.798 -3.142 -15.520 1.00 0.00 C ATOM 998 CG ASP A 68 -9.384 -3.147 -14.913 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.249 -3.413 -13.698 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.408 -2.882 -15.648 1.00 0.00 O ATOM 0 H ASP A 68 -9.933 -5.458 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.548 -4.074 -14.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.709 -2.990 -16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.340 -2.285 -15.120 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.168 -5.929 -17.168 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.419 -6.638 -18.449 1.00 0.00 C ATOM 1007 C GLY A 69 -10.250 -6.390 -19.436 1.00 0.00 C ATOM 1008 O GLY A 69 -9.827 -7.304 -20.157 1.00 0.00 O ATOM 0 H GLY A 69 -10.249 -6.114 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.529 -7.707 -18.266 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.355 -6.291 -18.888 1.00 0.00 H new ATOM 1012 N SER A 70 -9.741 -5.144 -19.455 1.00 0.00 N ATOM 1013 CA SER A 70 -8.643 -4.722 -20.364 1.00 0.00 C ATOM 1014 C SER A 70 -7.483 -5.752 -20.303 1.00 0.00 C ATOM 1015 O SER A 70 -7.041 -6.279 -21.330 1.00 0.00 O ATOM 1016 CB SER A 70 -8.183 -3.294 -19.987 1.00 0.00 C ATOM 1017 OG SER A 70 -7.390 -3.299 -18.804 1.00 0.00 O ATOM 0 H SER A 70 -10.074 -4.398 -18.844 1.00 0.00 H new ATOM 0 HA SER A 70 -8.996 -4.694 -21.395 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.610 -2.866 -20.809 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.055 -2.656 -19.840 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.016 -6.055 -19.074 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.934 -7.046 -18.850 1.00 0.00 C ATOM 1025 C GLY A 71 -4.575 -6.324 -18.660 1.00 0.00 C ATOM 1026 O GLY A 71 -3.710 -6.793 -17.908 1.00 0.00 O ATOM 0 H GLY A 71 -7.370 -5.628 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.160 -7.649 -17.970 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.876 -7.729 -19.698 1.00 0.00 H new ATOM 1030 N THR A 72 -4.406 -5.182 -19.353 1.00 0.00 N ATOM 1031 CA THR A 72 -3.139 -4.405 -19.357 1.00 0.00 C ATOM 1032 C THR A 72 -3.172 -3.389 -18.182 1.00 0.00 C ATOM 1033 O THR A 72 -4.115 -3.379 -17.381 1.00 0.00 O ATOM 1034 CB THR A 72 -2.872 -3.724 -20.736 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.084 -3.219 -21.292 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.203 -4.623 -21.793 1.00 0.00 C ATOM 0 H THR A 72 -5.140 -4.767 -19.927 1.00 0.00 H new ATOM 0 HA THR A 72 -2.299 -5.083 -19.208 1.00 0.00 H new ATOM 0 HB THR A 72 -2.168 -2.925 -20.505 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.896 -2.794 -22.155 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.061 -4.058 -22.714 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.236 -4.962 -21.422 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.839 -5.486 -21.991 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.141 -2.526 -18.104 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.022 -1.493 -17.040 1.00 0.00 C ATOM 1046 C ILE A 73 -1.441 -0.226 -17.727 1.00 0.00 C ATOM 1047 O ILE A 73 -0.233 0.034 -17.646 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.197 -2.012 -15.803 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.906 -3.183 -15.051 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.843 -0.877 -14.804 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.744 -2.782 -13.826 1.00 0.00 C ATOM 0 H ILE A 73 -1.368 -2.519 -18.769 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.989 -1.246 -16.601 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.268 -2.397 -16.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.554 -3.703 -15.756 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.147 -3.896 -14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.275 -1.290 -13.971 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.245 -0.119 -15.311 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.760 -0.424 -14.428 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.190 -3.673 -13.383 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.104 -2.292 -13.092 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.533 -2.096 -14.134 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.312 0.555 -18.393 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.910 1.802 -19.096 1.00 0.00 C ATOM 1065 C ASP A 74 -1.381 2.822 -18.052 1.00 0.00 C ATOM 1066 O ASP A 74 -1.242 2.520 -16.859 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.084 2.365 -19.959 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.108 3.802 -20.516 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -2.387 4.079 -21.500 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -3.855 4.648 -19.976 1.00 0.00 O ATOM 0 H ASP A 74 -3.308 0.347 -18.463 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.103 1.590 -19.798 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.183 1.700 -20.817 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.988 2.251 -19.361 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.055 4.040 -18.530 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.463 5.113 -17.687 1.00 0.00 C ATOM 1077 C PHE A 75 -1.552 5.629 -16.707 1.00 0.00 C ATOM 1078 O PHE A 75 -1.304 5.782 -15.505 1.00 0.00 O ATOM 1079 CB PHE A 75 0.112 6.255 -18.576 1.00 0.00 C ATOM 1080 CG PHE A 75 0.833 7.384 -17.813 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.125 8.192 -16.914 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.200 7.614 -18.010 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.778 9.206 -16.218 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.850 8.629 -17.312 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.141 9.417 -16.410 1.00 0.00 C ATOM 0 H PHE A 75 -1.191 4.312 -19.504 1.00 0.00 H new ATOM 0 HA PHE A 75 0.372 4.719 -17.107 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.809 5.820 -19.292 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.705 6.691 -19.151 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.931 8.028 -16.760 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.753 7.001 -18.707 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.227 9.829 -15.529 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.904 8.805 -17.471 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.649 10.194 -15.858 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.750 5.920 -17.249 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.875 6.502 -16.471 1.00 0.00 C ATOM 1097 C GLU A 76 -4.327 5.483 -15.389 1.00 0.00 C ATOM 1098 O GLU A 76 -4.755 5.871 -14.296 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.039 6.940 -17.406 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.176 5.921 -17.668 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.060 6.261 -18.872 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.705 5.880 -20.010 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -8.115 6.906 -18.685 1.00 0.00 O ATOM 0 H GLU A 76 -2.971 5.762 -18.232 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.541 7.408 -15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.486 7.840 -16.985 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.609 7.218 -18.369 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.737 4.935 -17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.803 5.856 -16.778 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.240 4.183 -15.724 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.671 3.073 -14.833 1.00 0.00 C ATOM 1112 C GLU A 77 -3.617 2.871 -13.710 1.00 0.00 C ATOM 1113 O GLU A 77 -3.954 2.448 -12.597 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.919 1.758 -15.630 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.947 0.447 -14.810 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.591 -0.719 -15.564 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.491 -0.476 -16.399 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.199 -1.883 -15.330 1.00 0.00 O ATOM 0 H GLU A 77 -3.870 3.865 -16.619 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.624 3.341 -14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.870 1.852 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.143 1.668 -16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.928 0.176 -14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.493 0.617 -13.882 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.343 3.174 -14.021 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.214 3.033 -13.062 1.00 0.00 C ATOM 1127 C PHE A 78 -1.431 4.028 -11.891 1.00 0.00 C ATOM 1128 O PHE A 78 -1.194 3.694 -10.724 1.00 0.00 O ATOM 1129 CB PHE A 78 0.149 3.251 -13.788 1.00 0.00 C ATOM 1130 CG PHE A 78 1.401 2.937 -12.943 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.281 2.210 -11.752 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.671 3.329 -13.380 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.412 1.903 -10.999 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.800 3.023 -12.624 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.670 2.312 -11.433 1.00 0.00 C ATOM 0 H PHE A 78 -2.061 3.522 -14.937 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.186 2.023 -12.652 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.169 2.629 -14.683 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.204 4.288 -14.119 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.307 1.886 -11.416 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.776 3.871 -14.308 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.313 1.347 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.777 3.337 -12.961 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.546 2.078 -10.846 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.872 5.255 -12.225 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.040 6.356 -11.240 1.00 0.00 C ATOM 1147 C LEU A 79 -3.214 5.989 -10.291 1.00 0.00 C ATOM 1148 O LEU A 79 -3.219 6.379 -9.117 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.288 7.715 -11.963 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.064 8.412 -12.626 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.460 9.259 -13.853 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.301 9.286 -11.611 1.00 0.00 C ATOM 0 H LEU A 79 -2.123 5.517 -13.178 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.129 6.476 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.041 7.553 -12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.718 8.407 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.409 7.613 -12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.570 9.723 -14.277 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.928 8.619 -14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.163 10.034 -13.548 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.548 9.759 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.967 10.054 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.057 8.663 -10.791 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.215 5.263 -10.823 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.414 4.834 -10.053 1.00 0.00 C ATOM 1166 C VAL A 80 -4.942 3.819 -8.976 1.00 0.00 C ATOM 1167 O VAL A 80 -5.395 3.867 -7.825 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.546 4.280 -10.990 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.532 3.343 -10.252 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.371 5.377 -11.708 1.00 0.00 C ATOM 0 H VAL A 80 -4.223 4.954 -11.795 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.875 5.686 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.992 3.718 -11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.292 2.992 -10.950 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.989 2.489 -9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.011 3.887 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.131 4.909 -12.335 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.854 6.013 -10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.710 5.981 -12.329 1.00 0.00 H new ATOM 1180 N MET A 81 -4.040 2.901 -9.369 1.00 0.00 N ATOM 1181 CA MET A 81 -3.493 1.851 -8.468 1.00 0.00 C ATOM 1182 C MET A 81 -2.958 2.541 -7.183 1.00 0.00 C ATOM 1183 O MET A 81 -3.477 2.318 -6.084 1.00 0.00 O ATOM 1184 CB MET A 81 -2.396 1.008 -9.180 1.00 0.00 C ATOM 1185 CG MET A 81 -2.242 -0.444 -8.690 1.00 0.00 C ATOM 1186 SD MET A 81 -1.443 -1.446 -9.963 1.00 0.00 S ATOM 1187 CE MET A 81 -2.848 -2.373 -10.616 1.00 0.00 C ATOM 0 H MET A 81 -3.666 2.860 -10.317 1.00 0.00 H new ATOM 0 HA MET A 81 -4.281 1.149 -8.195 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.615 0.990 -10.248 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.439 1.516 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.651 -0.466 -7.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.220 -0.860 -8.449 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.500 -3.321 -11.026 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.562 -2.565 -9.815 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.332 -1.794 -11.402 1.00 0.00 H new ATOM 1197 N MET A 82 -1.892 3.349 -7.340 1.00 0.00 N ATOM 1198 CA MET A 82 -1.187 3.990 -6.197 1.00 0.00 C ATOM 1199 C MET A 82 -2.139 4.972 -5.460 1.00 0.00 C ATOM 1200 O MET A 82 -1.942 5.252 -4.270 1.00 0.00 O ATOM 1201 CB MET A 82 0.105 4.696 -6.697 1.00 0.00 C ATOM 1202 CG MET A 82 1.366 3.811 -6.754 1.00 0.00 C ATOM 1203 SD MET A 82 2.238 3.825 -5.169 1.00 0.00 S ATOM 1204 CE MET A 82 1.584 2.342 -4.377 1.00 0.00 C ATOM 0 H MET A 82 -1.493 3.579 -8.250 1.00 0.00 H new ATOM 0 HA MET A 82 -0.889 3.226 -5.479 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.083 5.095 -7.694 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.308 5.546 -6.046 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.087 2.789 -7.011 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.030 4.167 -7.542 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.309 1.965 -3.656 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.654 2.584 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.393 1.580 -5.133 1.00 0.00 H new ATOM 1214 N VAL A 83 -3.142 5.511 -6.179 1.00 0.00 N ATOM 1215 CA VAL A 83 -4.060 6.555 -5.648 1.00 0.00 C ATOM 1216 C VAL A 83 -4.794 5.955 -4.417 1.00 0.00 C ATOM 1217 O VAL A 83 -4.844 6.578 -3.347 1.00 0.00 O ATOM 1218 CB VAL A 83 -5.030 7.105 -6.754 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.519 7.149 -6.329 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.631 8.515 -7.253 1.00 0.00 C ATOM 0 H VAL A 83 -3.344 5.241 -7.142 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.497 7.432 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.924 6.380 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.120 7.541 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.856 6.143 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.630 7.794 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.336 8.844 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.648 9.215 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.628 8.480 -7.677 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.384 4.758 -4.592 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.227 4.099 -3.559 1.00 0.00 C ATOM 1232 C ARG A 84 -5.403 3.991 -2.247 1.00 0.00 C ATOM 1233 O ARG A 84 -5.882 4.368 -1.170 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.696 2.699 -4.049 1.00 0.00 C ATOM 1235 CG ARG A 84 -8.150 2.644 -4.574 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.321 1.673 -5.758 1.00 0.00 C ATOM 1237 NE ARG A 84 -9.468 0.753 -5.555 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.942 -0.100 -6.486 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.894 0.199 -7.777 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.524 -1.239 -6.136 1.00 0.00 N ATOM 0 H ARG A 84 -5.294 4.215 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.123 4.692 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.026 2.365 -4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.595 1.990 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.813 2.342 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.458 3.643 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.469 2.242 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.408 1.092 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.931 0.767 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.494 1.087 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.257 -0.459 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.619 -1.481 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.877 -1.873 -6.853 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.178 3.444 -2.349 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.309 3.166 -1.174 1.00 0.00 C ATOM 1256 C GLN A 85 -2.942 4.510 -0.486 1.00 0.00 C ATOM 1257 O GLN A 85 -2.720 4.554 0.731 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.052 2.364 -1.618 1.00 0.00 C ATOM 1259 CG GLN A 85 -2.288 0.882 -1.999 1.00 0.00 C ATOM 1260 CD GLN A 85 -1.035 -0.007 -1.916 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.564 -0.543 -2.920 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.473 -0.188 -0.730 1.00 0.00 N ATOM 0 H GLN A 85 -3.758 3.181 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.838 2.550 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.606 2.871 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.321 2.398 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.055 0.469 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.681 0.840 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.870 0.260 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.357 -0.775 -0.643 1.00 0.00 H new ATOM 1271 N MET A 86 -2.852 5.590 -1.283 1.00 0.00 N ATOM 1272 CA MET A 86 -2.414 6.929 -0.803 1.00 0.00 C ATOM 1273 C MET A 86 -3.471 7.472 0.197 1.00 0.00 C ATOM 1274 O MET A 86 -3.132 8.234 1.114 1.00 0.00 O ATOM 1275 CB MET A 86 -2.178 7.905 -1.992 1.00 0.00 C ATOM 1276 CG MET A 86 -0.713 8.306 -2.249 1.00 0.00 C ATOM 1277 SD MET A 86 -0.608 10.072 -2.616 1.00 0.00 S ATOM 1278 CE MET A 86 -1.518 10.163 -4.173 1.00 0.00 C ATOM 0 H MET A 86 -3.079 5.568 -2.277 1.00 0.00 H new ATOM 0 HA MET A 86 -1.457 6.839 -0.289 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.574 7.446 -2.898 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.757 8.811 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.105 8.071 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.311 7.729 -3.082 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.784 11.200 -4.379 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.895 9.781 -4.982 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.425 9.563 -4.100 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.745 7.084 0.010 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.889 7.600 0.808 1.00 0.00 C ATOM 1290 C LYS A 87 -5.888 6.895 2.192 1.00 0.00 C ATOM 1291 O LYS A 87 -6.352 7.469 3.185 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.250 7.358 0.096 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.948 6.019 0.435 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.930 5.503 -0.637 1.00 0.00 C ATOM 1295 CE LYS A 87 -10.336 6.135 -0.587 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.856 6.400 -1.939 1.00 0.00 N ATOM 0 H LYS A 87 -5.019 6.403 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.770 8.677 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.925 8.175 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.090 7.402 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.183 5.260 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.489 6.137 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.500 5.687 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.029 4.423 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.017 5.468 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.298 7.066 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.803 6.825 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.218 7.055 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.915 5.507 -2.469 1.00 0.00 H new ATOM 1310 N GLU A 88 -5.372 5.652 2.238 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.299 4.843 3.484 1.00 0.00 C ATOM 1312 C GLU A 88 -4.566 5.675 4.573 1.00 0.00 C ATOM 1313 O GLU A 88 -3.334 5.652 4.667 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.630 3.468 3.199 1.00 0.00 C ATOM 1315 CG GLU A 88 -4.224 2.630 4.436 1.00 0.00 C ATOM 1316 CD GLU A 88 -3.501 1.322 4.099 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -2.755 1.283 3.095 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -3.672 0.328 4.839 1.00 0.00 O ATOM 0 H GLU A 88 -4.994 5.176 1.419 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.297 4.615 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.315 2.874 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.739 3.640 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.579 3.234 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.119 2.399 5.014 1.00 0.00 H new ATOM 1325 N ASP A 89 -5.351 6.382 5.407 1.00 0.00 N ATOM 1326 CA ASP A 89 -4.830 7.146 6.572 1.00 0.00 C ATOM 1327 C ASP A 89 -6.031 7.761 7.340 1.00 0.00 C ATOM 1328 O ASP A 89 -6.578 8.794 6.936 1.00 0.00 O ATOM 1329 CB ASP A 89 -3.786 8.215 6.138 1.00 0.00 C ATOM 1330 CG ASP A 89 -3.233 9.115 7.256 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -3.817 9.134 8.362 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -2.217 9.809 7.029 1.00 0.00 O ATOM 0 H ASP A 89 -6.363 6.444 5.299 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.295 6.473 7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.948 7.704 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.242 8.851 5.379 1.00 0.00 H new ATOM 1337 N ALA A 90 -6.444 7.094 8.434 1.00 0.00 N ATOM 1338 CA ALA A 90 -7.629 7.501 9.235 1.00 0.00 C ATOM 1339 C ALA A 90 -7.314 7.288 10.728 1.00 0.00 C ATOM 1340 O ALA A 90 -6.959 8.293 11.420 1.00 0.00 O ATOM 1341 CB ALA A 90 -8.885 6.723 8.790 1.00 0.00 C ATOM 1342 OXT ALA A 90 -7.414 6.129 11.238 1.00 0.00 O ATOM 0 H ALA A 90 -5.974 6.262 8.791 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.845 8.557 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.739 7.037 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.086 6.927 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.719 5.655 8.927 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.484 -2.154 -23.328 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.590 -3.079 -16.514 1.00 0.00 CA